UCSF

ZINC19171876

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.21 2.07 -3.83 3 2 0 38 140.161 2
Mid Mid (pH 6-8) 0.21 1.85 -49.19 4 2 1 40 141.169 2
Mid Mid (pH 6-8) 0.21 2.61 -43.86 4 2 1 43 141.169 2

Vendor Notes

Note Type Comments Provided By
MP 149 - 151 Enamine Building Blocks
MP 149...151 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.